tributyl-[4-(1H-pyrazol-5-yl)phenyl]stannane

C21H34N2Sn — CID 174792370

IUPACtributyl-[4-(1H-pyrazol-5-yl)phenyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C9H7N2.3C4H9.Sn/c1-2-4-8(5-3-1)9-6-7-10-11-9;3*1-3-4-2;/h2-7H,(H,10,11);3*1,3-4H2,2H3;
InChIKeyZMVAUFVQYYWUBZ-UHFFFAOYSA-N
MW433.23 g/mol
LogP6.13
Rot. Bonds11

About tributyl-[4-(1H-pyrazol-5-yl)phenyl]stannane

tributyl-[4-(1H-pyrazol-5-yl)phenyl]stannane (PubChem CID 174792370) has the molecular formula C21H34N2Sn and a molecular weight of 433.23 g/mol. Its IUPAC name is tributyl-[4-(1H-pyrazol-5-yl)phenyl]stannane.

Molecular Properties

Compound Nametributyl-[4-(1H-pyrazol-5-yl)phenyl]stannane
PubChem CID174792370
Molecular FormulaC21H34N2Sn
Molecular Weight433.23 g/mol
Exact Mass434.17
IUPAC Nametributyl-[4-(1H-pyrazol-5-yl)phenyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C9H7N2.3C4H9.Sn/c1-2-4-8(5-3-1)9-6-7-10-11-9;3*1-3-4-2;/h2-7H,(H,10,11);3*1,3-4H2,2H3;
InChIKeyZMVAUFVQYYWUBZ-UHFFFAOYSA-N
XLogP6.13
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.23
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tributyl-[4-(1H-pyrazol-5-yl)phenyl]stannane?
The IUPAC name of tributyl-[4-(1H-pyrazol-5-yl)phenyl]stannane (CID 174792370) is tributyl-[4-(1H-pyrazol-5-yl)phenyl]stannane.
What is the SMILES notation for tributyl-[4-(1H-pyrazol-5-yl)phenyl]stannane?
The canonical SMILES for tributyl-[4-(1H-pyrazol-5-yl)phenyl]stannane is CCCC[Sn](CCCC)(CCCC)c1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of tributyl-[4-(1H-pyrazol-5-yl)phenyl]stannane?
The InChIKey is ZMVAUFVQYYWUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N2.3C4H9.Sn/c1-2-4-8(5-3-1)9-6-7-10-11-9;3*1-3-4-2;/h2-7H,(H,10,11);3*1,3-4H2,2H3;.
What are the key properties of tributyl-[4-(1H-pyrazol-5-yl)phenyl]stannane?
tributyl-[4-(1H-pyrazol-5-yl)phenyl]stannane has a molecular weight of 433.23 g/mol, XLogP of 6.13, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[4-(1H-pyrazol-5-yl)phenyl]stannane is sourced from PubChem (CID 174792370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).